1IIN

thymidylyltransferase complexed with UDP-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	130
Detector technology	CCD
Detector	CUSTOM-MADE
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	92.900, 112.141, 132.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 2.000 *
R-factor	0.183 *
Rwork	0.184
R-free	0.22300 *
RMSD bond length	0.009 *
RMSD bond angle	1.740 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	39.830
High resolution limit [Å]	2.000
Rmerge	0.075 *
Completeness [%]	99.7 *
Redundancy	7. *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	298	Ammonium Sulfate, iso-propanol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop		10 (mM)
3	1	drop		2 (mM)
4	1	drop	HEPES	10 (mM)
5	1	reservoir	ammonium sulfate	1.9 (M)
6	1	reservoir	isopropanol	7.5 (%(v/v))